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17800-45-2 | 10H-Phenothiazine-3-methanol, 10-methyl-
CAS No: 17800-45-2 Catalog No: AG007U7T MDL No:
Product Description
Catalog Number:
AG007U7T
Chemical Name:
10H-Phenothiazine-3-methanol, 10-methyl-
CAS Number:
17800-45-2
Molecular Formula:
C14H13NOS
Molecular Weight:
243.3241
IUPAC Name:
(10-methylphenothiazin-3-yl)methanol
InChI:
InChI=1S/C14H13NOS/c1-15-11-4-2-3-5-13(11)17-14-8-10(9-16)6-7-12(14)15/h2-8,16H,9H2,1H3
InChI Key:
HDQFWPZZCXBWRH-UHFFFAOYSA-N
SMILES:
OCc1ccc2c(c1)Sc1c(N2C)cccc1
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.072g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
243.324g/mol
Monoisotopic Mass:
243.072g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
48.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
Literature
| Title | Journal |
|---|---|
| Experimental and quantum chemical study on the vibrational spectroscopy of N-methylphenothiazines: part 1. | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20060201 |
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